3-aminosulfanyl-1H-pyridine-2-thione

C5H6N2S2 — CID 12877154

IUPAC3-aminosulfanyl-1H-pyridine-2-thione
SMILESNSc1ccc[nH]c1=S
InChIInChI=1S/C5H6N2S2/c6-9-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
InChIKeyCXBLLGLFCQXCTH-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.71
Rot. Bonds1

About 3-aminosulfanyl-1H-pyridine-2-thione

3-aminosulfanyl-1H-pyridine-2-thione (PubChem CID 12877154) has the molecular formula C5H6N2S2 and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-aminosulfanyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-aminosulfanyl-1H-pyridine-2-thione
PubChem CID12877154
Molecular FormulaC5H6N2S2
Molecular Weight158.25 g/mol
Exact Mass158.00
IUPAC Name3-aminosulfanyl-1H-pyridine-2-thione
SMILESNSc1ccc[nH]c1=S
InChIInChI=1S/C5H6N2S2/c6-9-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
InChIKeyCXBLLGLFCQXCTH-UHFFFAOYSA-N
XLogP1.71
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Mercaptopyridine
CID 2723698
3-Aminopyridine-2-thiol
CID 5463181
4-Amino-2(1H)-pyridinethione
CID 15089585
N-methyl-2-sulfanyl-pyridine-3-carbothioamide
CID 3002835
Dithiopyridine
CID 10154113
3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione
CID 12877148
2-Sulfanylpyridine-3-carbothioamide
CID 15631426
5-Aminopyridine-2-thiol
CID 23423668
2,4-Dimercaptopyridine
CID 54721852
Pyridinethione disulfide
CID 129670487
3-Fluoro-1,2-dihydropyridine-2-thione
CID 23160375
1H-pyridine-2-thione;zinc
CID 67262858

Frequently Asked Questions

What is the IUPAC name of 3-aminosulfanyl-1H-pyridine-2-thione?
The IUPAC name of 3-aminosulfanyl-1H-pyridine-2-thione (CID 12877154) is 3-aminosulfanyl-1H-pyridine-2-thione.
What is the SMILES notation for 3-aminosulfanyl-1H-pyridine-2-thione?
The canonical SMILES for 3-aminosulfanyl-1H-pyridine-2-thione is NSc1ccc[nH]c1=S.
What is the InChIKey of 3-aminosulfanyl-1H-pyridine-2-thione?
The InChIKey is CXBLLGLFCQXCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S2/c6-9-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8).
What are the key properties of 3-aminosulfanyl-1H-pyridine-2-thione?
3-aminosulfanyl-1H-pyridine-2-thione has a molecular weight of 158.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminosulfanyl-1H-pyridine-2-thione is sourced from PubChem (CID 12877154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).